7-[2-(1-azanylpropan-2-yl)-5-ethyl-pyrrolidin-1-yl]-8-chloranyl-1-cyclopropyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(1-azanylpropan-2-yl)-5-ethyl-pyrrolidin-1-yl]-8-chloranyl-1-cyclopropyl-6-oxidanyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(2-amino-1-methyl-ethyl)-5-ethyl-pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(1-aminopropan-2-yl)-5-ethyl-1-pyrrolidinyl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(1-aminopropan-2-yl)-5-ethylpyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-hydroxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(2-amino-1-methyl-ethyl)-5-ethyl-pyrrolidino]-8-chloro-1-cyclopropyl-6-hydroxy-4-keto-quinoline-3-carboxylic acid Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(N1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)O)C(C)CN

Isomeric SMILES

CCC1CCC(N1C2=C(C=C3C(=C2Cl)N(C=C(C3=O)C(=O)O)C4CC4)O)C(C)CN

InChI

InChI=1S/C22H28ClN3O4/c1-3-12-6-7-16(11(2)9-24)26(12)20-17(27)8-14-19(18(20)23)25(13-4-5-13)10-15(21(14)28)22(29)30/h8,10-13,16,27H,3-7,9,24H2,1-2H3,(H,29,30)